Hello gmx-users! I would like to inquire if there is some sensible way to take into account gravity in molecular dynamics simulations. I have understood that it is possible to introduce constant acceleration on certain group in Gromacs with options acc_grps and accelerate which the latter should be 0.0 0.0 -9.81E-15 (nm/ps^2) in case of gravity. However if the displacement is proportional to the second power of time, (x=1/2*a*t^2) simulation of nanosecond should induce displacement of only 5E-18m, which is neglible. Have I understood this correctly and/or is there some other way to visualize real gravity effects within the time-scale of MD-simulations?
Thanks for any help, Janne ------------------------------------------------------------------------------ Janne Hirvi, MSc(Physical Chemistry), Researcher University of Joensuu, Department of Chemistry, P.O.Box 111 80101 Joensuu, FI Tel: +358 13 2514544 & +358 50 3474223 E-mail: [EMAIL PROTECTED] & [EMAIL PROTECTED] ------------------------------------------------------------------------------ _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
